ethyl-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: ethyl-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(p-anisidino)ethyl]-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C22H31N5O3+2 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NC1=CC=C(C=C1)OC)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC[NH+](CC(=O)NC1=CC=C(C=C1)OC)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H29N5O3/c1-3-25(16-21(28)24-18-7-9-19(30-2)10-8-18)17-22(29)27-14-12-26(13-15-27)20-6-4-5-11-23-20/h4-11H,3,12-17H2,1-2H3,(H,24,28)/p+2